HomePhilippine Journal of Material Science and Nanotechnologyvol. 7 no. 1 (2021)

Molecular Dynamics Simulation of Carbon Nano-Film and its Stress/Strain using LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator)

Rjaymz L. Dela Cruz | Carlo L. De Guzman | Maxara Nicole S. Ederadan | Abraham Joel P. Gaddi | Gil Nonato C. Santos



This research investigates the stress, strain, and structure of simulated carbon nanofilm through the LAMMPS software. This study also aims to create a simulation of a carbon nano-film model and have its strength tested in the simulation process. We simulated different shapes and sizes in a computer-generated environment will help us understand the material’s characteristic and how the material interacts with other objects in its environment. By designing the film in the software, the strain of the carbon film can be measured. In the completion of this study, we found out that the shape that performed the highest is the block shaped nano-film and the smaller sizes perform with the same strength and endurance whether it be their Young’s modulus or ultimate tensile strength. The model with the strongest structure is the block shaped nano-film with a size of 1000 cubic units, a Young’s modulus of 688.67 GPa, and an ultimate tensile strength of 134.40 GPa.